# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/629614bb-fa97-4ede-91cf-f713e754ddea/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Hg2GeO4 / Fddd (70) / materials id 13995](https://mdr.nims.go.jp/datasets/e1aac3ab-0292-4261-8c49-565f32af86d5) ## Fulltext elements: [O, Ge, Hg]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 72.61, 200.6]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [4.167775778522053e+00, 3.702778458125284e-03, 2.880021353272093e-02, 1.242245742021578e+04, 1.863935911113694e+02, 1.149021526423043e+03, 9.369304336563959e+03, 1.431231209251636e+02, 9.155592228421054e+03, 3.190315319905950e+00, 5.265649283152792e+00, 0.000000000000000e+00, 2.051112078702934e+04, 1.636059344774923e+02, 1.522039030958098e+05, -2.307864958606516e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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